MMsINC Database Search


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MMsINC code: MMs02263558

Type: Neutral
Formula: C₁₀H₁₆N₆

SMILES:

N(N=NCc1ccccc1CN=NNC)C

InChI:

InChI=1/C10H16N6/c1-11-15-13-7-9-5-3-4-6-10(9)8-14-16-12-2/h3-6H,7-8H2,1-2H3,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6325 kcal/mol

Physical Properties
Molecular Weight: 220.28 g/mol	logS: -0.80542	SlogP: 2.3926	Reactive groups: 0

Topological Properties
Globularity: 0.0802475	Sterimol/B1: 2.19384	Sterimol/B2: 3.24543	Sterimol/B3: 3.60627
Sterimol/B4: 7.61321	Sterimol/L: 15.0641

Surface and Volume Properties
Accessible surface: 501.789	Positive charged surface: 381.428	Negative charged surface: 120.36	Volume: 224.875
Hydrophobic surface: 408.353	Hydrophilic surface: 93.436

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.